2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide

C12H13ClN2O2 — CID 62652936

IUPAC2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
SMILESCC(C#N)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O2/c1-9(6-14)7-15-12(16)8-17-11-4-2-3-10(13)5-11/h2-5,9H,7-8H2,1H3,(H,15,16)
InChIKeyFYTGVGZGDJZGFY-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.99
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide

2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide (PubChem CID 62652936) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
PubChem CID62652936
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide
SMILESCC(C#N)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O2/c1-9(6-14)7-15-12(16)8-17-11-4-2-3-10(13)5-11/h2-5,9H,7-8H2,1H3,(H,15,16)
InChIKeyFYTGVGZGDJZGFY-UHFFFAOYSA-N
XLogP1.99
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
CID 114306028
N-(2-bromo-3-ethylpentyl)-2-(3-chlorophenoxy)acetamide
CID 106288395
N-(2-bromo-4-methylpentyl)-2-(3-chlorophenoxy)acetamide
CID 107157608
[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
methyl 2-bromo-3-[[2-(3-chlorophenoxy)acetyl]amino]propanoate
CID 103492346
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-chlorophenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725683
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide (CID 62652936) is 2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide is CC(C#N)CNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide?
The InChIKey is FYTGVGZGDJZGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-9(6-14)7-15-12(16)8-17-11-4-2-3-10(13)5-11/h2-5,9H,7-8H2,1H3,(H,15,16).
What are the key properties of 2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide?
2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide has a molecular weight of 252.70 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2-cyanopropyl)acetamide is sourced from PubChem (CID 62652936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).